SCHEMBL31076190

SCHEMBL31076190

NC(=O)C1CC1c1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SLC9A1 P19634 4/20 0.38
ALDH1A1 P00352 3/20 0.36
FAAH O00519 3/20 0.36
HCAR2 Q8TDS4 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
NAMPT P43490 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 2/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP2D6 P10635 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31076243 0.82 FFAR1 (0.46) GPR88HRH3ALDH1A1HCAR2NAMPT
SCHEMBL32677636 0.82 FFAR1 (0.46) GPR88HRH3ALDH1A1HCAR2NAMPT
SCHEMBL29496238 0.81 GPR88 (0.39) GPR88HRH3ALDH1A1HCAR2CYP3A4
SCHEMBL18923957 0.79 CYP2A6 (0.59) GPR88SLC9A1CYP3A4CYP2C9NAMPT
SCHEMBL22773711 0.79 CYP2A6 (0.59) GPR88SLC9A1CYP3A4CYP2C9NAMPT
SCHEMBL29527359 0.79 CYP2A6 (0.59) GPR88SLC9A1CYP3A4CYP2C9NAMPT
SCHEMBL29940412 0.78 SLC9A1 (0.43) SLC9A1FAAHHCAR2CYP3A4
SCHEMBL31355230 0.78 CYP11B2 (0.41) ALDH1A1FAAHHCAR2CYP3A4CYP2C9
SCHEMBL29302360 0.78 SLC9A1 (0.43) SLC9A1FAAHHCAR2CYP3A4
SCHEMBL30927243 0.77 ALDH1A1 (0.51) GPR88SLC9A1ALDH1A1FAAHCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US claimed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US claimed
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US disclosed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US disclosed
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
EP-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B GPR88 1390/4885HRH3 2567/4885SLC9A1 2273/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B GPR88 1390/4885HRH3 2567/4885SLC9A1 2273/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 GPR88 1401/4885HRH3 675/4885SLC9A1 2153/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.